methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate

C20H14N2O3 — CID 176895766

IUPACmethyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate
SMILESCOC(=O)c1cccc(-c2noc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C20H14N2O3/c1-24-20(23)17-8-4-7-15(12-17)18-21-19(25-22-18)16-10-9-13-5-2-3-6-14(13)11-16/h2-12H,1H3
InChIKeyXBNHSVOGJKUZJO-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.34
Rot. Bonds3

About methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate

methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate (PubChem CID 176895766) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate
PubChem CID176895766
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Namemethyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate
SMILESCOC(=O)c1cccc(-c2noc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C20H14N2O3/c1-24-20(23)17-8-4-7-15(12-17)18-21-19(25-22-18)16-10-9-13-5-2-3-6-14(13)11-16/h2-12H,1H3
InChIKeyXBNHSVOGJKUZJO-UHFFFAOYSA-N
XLogP4.34
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-[4-(2-hydroxyethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 130232199
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
methyl 4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 75456998
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 91650435
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 44543077
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 3-[5-(2-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 119050713
N-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828728
S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine
CID 142094941
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate?
The IUPAC name of methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate (CID 176895766) is methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate.
What is the SMILES notation for methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate?
The canonical SMILES for methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate is COC(=O)c1cccc(-c2noc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate?
The InChIKey is XBNHSVOGJKUZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-24-20(23)17-8-4-7-15(12-17)18-21-19(25-22-18)16-10-9-13-5-2-3-6-14(13)11-16/h2-12H,1H3.
What are the key properties of methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate?
methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate has a molecular weight of 330.34 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate is sourced from PubChem (CID 176895766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).